(2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene

C37H42 — CID 58673869

IUPAC(2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene
SMILESC=C(C)c1cc(C2=CC=C(/C=C3/CC4=CC(C)C(C(=C)CCC)C(C5=CC=CC5)C4C3=C)C2)ccc1C
InChIInChI=1S/C37H42/c1-8-11-25(5)35-26(6)18-33-21-32(27(7)36(33)37(35)29-12-9-10-13-29)20-28-15-17-30(19-28)31-16-14-24(4)34(22-31)23(2)3/h9-10,12,14-18,20,22,26,35-37H,2,5,7-8,11,13,19,21H2,1,3-4,6H3/b32-20-
InChIKeyMSQORCDTDXSCAM-RGXNXFOYSA-N
MW486.74 g/mol
LogP10.30
Rot. Bonds7

About (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene

(2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene (PubChem CID 58673869) has the molecular formula C37H42 and a molecular weight of 486.74 g/mol. Its IUPAC name is (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene.

Molecular Properties

Compound Name(2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene
PubChem CID58673869
Molecular FormulaC37H42
Molecular Weight486.74 g/mol
Exact Mass486.33
IUPAC Name(2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene
SMILESC=C(C)c1cc(C2=CC=C(/C=C3/CC4=CC(C)C(C(=C)CCC)C(C5=CC=CC5)C4C3=C)C2)ccc1C
InChIInChI=1S/C37H42/c1-8-11-25(5)35-26(6)18-33-21-32(27(7)36(33)37(35)29-12-9-10-13-29)20-28-15-17-30(19-28)31-16-14-24(4)34(22-31)23(2)3/h9-10,12,14-18,20,22,26,35-37H,2,5,7-8,11,13,19,21H2,1,3-4,6H3/b32-20-
InChIKeyMSQORCDTDXSCAM-RGXNXFOYSA-N
XLogP10.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene?
The IUPAC name of (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene (CID 58673869) is (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene.
What is the SMILES notation for (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene?
The canonical SMILES for (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene is C=C(C)c1cc(C2=CC=C(/C=C3/CC4=CC(C)C(C(=C)CCC)C(C5=CC=CC5)C4C3=C)C2)ccc1C.
What is the InChIKey of (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene?
The InChIKey is MSQORCDTDXSCAM-RGXNXFOYSA-N. The full InChI is InChI=1S/C37H42/c1-8-11-25(5)35-26(6)18-33-21-32(27(7)36(33)37(35)29-12-9-10-13-29)20-28-15-17-30(19-28)31-16-14-24(4)34(22-31)23(2)3/h9-10,12,14-18,20,22,26,35-37H,2,5,7-8,11,13,19,21H2,1,3-4,6H3/b32-20-.
What are the key properties of (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene?
(2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene has a molecular weight of 486.74 g/mol, XLogP of 10.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-cyclopenta-1,3-dien-1-yl-6-methyl-3-methylidene-2-[[4-(4-methyl-3-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-3a,4,5,6-tetrahydro-1H-indene is sourced from PubChem (CID 58673869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).